Solvent effect on excited state potential energy surfaces of Thioflavin T. Qualitatively different results by TDDFT and SA-2-CASSCF methods
© 2020 Wiley Periodicals LLC.
| Publié dans: | Journal of computational chemistry. - 1984. - 41(2020), 21 vom: 05. Aug., Seite 1874-1884 |
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| Auteur principal: | |
| Format: | Article en ligne |
| Langue: | English |
| Publié: |
2020
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| Accès à la collection: | Journal of computational chemistry |
| Sujets: | Journal Article Research Support, Non-U.S. Gov't SA-CASSCF TDDFT fluorescent molecular rotor twisted intramolecular charge transfer Aniline Compounds Benzothiazoles Solvents thioflavin T plus... |
| Accès en ligne |
Volltext |